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CHEBI:221461 - Cinnapeptin

ChEBI IDCHEBI:221461
ChEBI NameCinnapeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H101N11O17
Net Charge0
Average Mass1392.660
Monoisotopic Mass1391.73769
SMILESCc1ccccc1/C=C/C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C(O)C(C)C)CO[C@@H]1C
InChIInChI=1S/C72H101N11O17/c1-39(2)33-52-65(92)76-53(35-46-22-27-49(86)28-23-46)66(93)74-51(21-15-16-32-73)64(91)83-61(63(90)41(5)6)72(99)79-56(37-84)69(96)77-55(36-47-24-29-50(87)30-25-47)68(95)82-59(43(8)85)70(97)80-57(62(89)40(3)4)38-100-44(9)60(81-58(88)31-26-48-20-14-13-17-42(48)7)71(98)78-54(67(94)75-52)34-45-18-11-10-12-19-45/h10-14,17-20,22-31,39-41,43-44,51-57,59-63,84-87,89-90H,15-16,21,32-38,73H2,1-9H3,(H,74,93)(H,75,94)(H,76,92)(H,77,96)(H,78,98)(H,79,99)(H,80,97)(H,81,88)(H,82,95)(H,83,91)/b31-26+/t43-,44-,51-,52+,53-,54-,55+,56+,57-,59-,60-,61+,62?,63+/m1/s1
InChIKeyMWADPICVQSLLSV-GSJUHUDTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces viridosporus (ncbitaxon:67581) - PubMed (32790054)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cinnapeptin (CHEBI:221461) is a polypeptide (CHEBI:15841)